Related papers: Nonequilibrium dynamics of the Hubbard dimer
Most microscopic descriptions of structural dynamics assume the Born-Oppenheimer separation, where electrons adjust adiabatically to ionic motion. When this separation breaks down, electronic and lattice degrees of freedom can evolve on…
Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These can be exploited for device functionality or may be…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
The quantum dynamics of quasi-one-dimensional ring with varying electron filling factor is investigated in presence of external electric field. The system is modeled within Hubbard Hamiltonian with attractive Coulomb correlation, which…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…
Starting from the (Hubbard) model of an atom, we demonstrate that the uniqueness of the mapping from the interacting to the noninteracting Green's function, $G\to G_0$, is strongly violated, by providing numerous explicit examples of…
We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the…
We evaluate the one-particle and double-occupied Green functions for the Hubbard model at half-filling using the moment approach of Nolting. Our starting point is a self-energy, $\Sigma(\vec{k},\omega)$, which has a single pole,…
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the non-equilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green…
Computational difficulties aside, nonequilibrium Green's functions appear ideally suited for investigating the dynamics of central nuclear reactions. Many particles actively participate in those reactions. At the two energy extremes for the…
Many-body systems constructed of quantum-optical building blocks can now be realized in experimental platforms ranging from exciton-polariton fluids to ultracold gases of Rydberg atoms, establishing a fascinating interface between…
Crossing a quantum critical point in finite time challenges the adiabatic condition due to the closing of the energy gap, which ultimately results in the formation of excitations. Such non-adiabatic excitations are typically deemed…
We study non-equilibrium quantum dynamics of the single-component scalar field theory in 1+1 space-time dimensions on the basis of the Kadanoff-Baym equation including the next-to-leading-order (NLO) skeleton diagrams. As an extension of…
The quantum dynamics of correlated fermionic or bosonic many-body systems following external excitation can be successfully studied using nonequilibrium Green functions (NEGF) or reduced density matrix methods. Approximations are introduced…
A nonperturbative electron transfer rate theory is developed based on the reduced density matrix dynamics, which can be evaluated readily for the Debye solvent model without further approximation. Not only does it recover for reaction rates…
Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may correspond to, for example, partially filled…
Non-equilibrium phase transitions are studied theoretically for the two-dimensional Hubbard model subject to bias voltages from the electrodes coupled to the system. By combining the fluctuation exchange approximation with the Keldysh…
The Kadanoff-Baym equations (KBE) are usually derived under the assumption of the weakening of initial correlations (Bogolyubov's condition) and, therefore, fail to correctly describe the short time behavior. We demonstrate that this…
We study the single-band Hubbard model in the presence of a large spatially uniform electric field out of equilibrium. Using the Keldysh nonequilibrium formalism, we solve the problem using perturbation theory in the Coulomb interaction U.…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…